Geometry & MOs

Info

ID:	177447
PubChem CID:	76186567
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	530.264154
ΔH_f, kcal/mol:	-120.74
Dipole, Da:	2.14
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

20-[(3-methoxypiperidin-1-yl)methyl]-17-oxa-8,9,12,23,25-pentazahexacyclo[16.6.2.16,9.112,16.02,7.022,26]octacosa-3,5,7,18,20,22,25-heptaene-24,28-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C=CC2=CC(=C(C=C2)O)OC)O

DOS

IR

Vibrations